VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Thu Nov 08 2012 - 12:20:34 CST

On Thu, Nov 8, 2012 at 6:04 PM, siladitya mukherjee <
mukherjeesiladitya_at_gmail.com> wrote:

> Hi,
>
> Can anyone tell me what is the unit of bond distance measured in VMD.
>

depends on what format you read the data from
and whether you stick to the conventions or not.

VMD itself doesn't care at all. what matters is
what is programmed in the molfile plugins for the
individual file formats.

those generally assume that have coordinates
specified in angstrom, except for file formats
where the conventions are different, e.g. nanometers
in gromacs/gromos type files and atomic units
(i.e. bohr radii) in gamess and similar ab initio
derived formats.

axel.

>
> Thanks,
> Siladitya
> 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
International Centre for Theoretical Physics, Trieste. Italy.